SCHEMBL860855

SCHEMBL860855

CC(C)OC(=O)CCOCCOCCNC(=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 2/20 0.39
TLR2 O60603 11/20 0.38
HTT P42858 1/20 0.37
EPHX2 P34913 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14728073 0.95 KMT2A (0.50) KMT2AMEN1LMNATLR2HTT
SCHEMBL10447931 0.84 KMT2A (0.73) KMT2AMEN1LMNAHTTEPHX2
SCHEMBL18908674 0.84 KMT2A (0.73) KMT2AMEN1LMNAHTTEPHX2
SCHEMBL18908735 0.84 KMT2A (0.73) KMT2AMEN1LMNAHTTEPHX2
SCHEMBL12387741 0.82 KMT2A (0.69) KMT2AMEN1LMNAHTTEPHX2
SCHEMBL19999259 0.82 MEN1 (0.41) KMT2AMEN1LMNATLR2HTT
SCHEMBL25128239 0.81 KMT2A (0.59) KMT2AMEN1TLR2HTTCYP2D6
SCHEMBL17175246 0.81 KMT2A (0.59) KMT2AMEN1TLR2HTTCYP2D6
SCHEMBL25129535 0.81 KMT2A (0.59) KMT2AMEN1TLR2HTTCYP2D6
SCHEMBL12989514 0.81 KMT2A (0.55) KMT2AMEN1LMNATLR2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 US disclosed
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 US disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 KMT2A 4505/4885MEN1 3725/4885LMNA 2338/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 KMT2A 4709/4885MEN1 4291/4885LMNA 3249/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.